CAS 69651-80-5 | (2S)-7-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one | CAS Number 69651-80-5

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69651-80-5 | (2S)-7-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one

CAS No: 69651-80-5 Catalog No: AG005VG9 MDL No:

Product Description

Catalog Number:

AG005VG9

Chemical Name:

(2S)-7-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one

CAS Number:

69651-80-5

Molecular Formula:

C22H24O11

Molecular Weight:

464.4194

IUPAC Name:

(2S)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

InChI:

InChI=1S/C22H24O11/c1-30-13-3-2-9(4-11(13)25)14-7-12(26)18-15(31-14)5-10(24)6-16(18)32-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,14,17,19-25,27-29H,7-8H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1

InChI Key:

QSLBWGKNSBMTJL-YMTXFHFDSA-N

SMILES:

OC[C@H]1O[C@@H](Oc2cc(O)cc3c2C(=O)C[C@H](O3)c2ccc(c(c2)O)OC)[C@@H]([C@H]([C@H]1O)O)O

Properties

Complexity:

677

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

464.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

464.423g/mol

Monoisotopic Mass:

464.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

175A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Inhibitory activity of flavonoids from Prunus davidiana and other flavonoids on total ROS and hydroxyl radical generation.	Archives of pharmacal research 20031001